2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide

C18H20N2O3S — CID 110780652

IUPAC2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C18H20N2O3S/c1-13(2)14-8-9-17(23-3)16(10-14)12-20-24(21,22)18-7-5-4-6-15(18)11-19/h4-10,13,20H,12H2,1-3H3
InChIKeyPYZBUNZIRVOZBF-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.17
Rot. Bonds6

About 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide

2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 110780652) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID110780652
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C18H20N2O3S/c1-13(2)14-8-9-17(23-3)16(10-14)12-20-24(21,22)18-7-5-4-6-15(18)11-19/h4-10,13,20H,12H2,1-3H3
InChIKeyPYZBUNZIRVOZBF-UHFFFAOYSA-N
XLogP3.17
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
CID 110781168
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642217
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 110780652) is 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide is COc1ccc(C(C)C)cc1CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is PYZBUNZIRVOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(2)14-8-9-17(23-3)16(10-14)12-20-24(21,22)18-7-5-4-6-15(18)11-19/h4-10,13,20H,12H2,1-3H3.
What are the key properties of 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide?
2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110780652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).